N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

C21H19N3OS — CID 651232

IUPACN-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21
InChIInChI=1S/C21H19N3OS/c1-23-18-10-12-26-20(18)13-19(23)21(25)24(14-16-7-3-2-4-8-16)15-17-9-5-6-11-22-17/h2-13H,14-15H2,1H3
InChIKeyYGMHCNFTPYTSCV-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.48
Rot. Bonds5

About N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide

N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 651232) has the molecular formula C21H19N3OS and a molecular weight of 361.47 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
PubChem CID651232
Molecular FormulaC21H19N3OS
Molecular Weight361.47 g/mol
Exact Mass361.12
IUPAC NameN-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21
InChIInChI=1S/C21H19N3OS/c1-23-18-10-12-26-20(18)13-19(23)21(25)24(14-16-7-3-2-4-8-16)15-17-9-5-6-11-22-17/h2-13H,14-15H2,1H3
InChIKeyYGMHCNFTPYTSCV-UHFFFAOYSA-N
XLogP4.48
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide (CID 651232) is N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)N(Cc2ccccc2)Cc2ccccn2)cc2sccc21.
What is the InChIKey of N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YGMHCNFTPYTSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3OS/c1-23-18-10-12-26-20(18)13-19(23)21(25)24(14-16-7-3-2-4-8-16)15-17-9-5-6-11-22-17/h2-13H,14-15H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide?
N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(pyridin-2-ylmethyl)thieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 651232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).